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<DIV><FONT face=Arial size=2>pay more attention on you CPU user% ratio and see
whether your cpu is waiting for IO or virtual memory.</FONT></DIV>
<DIV><FONT face=Arial size=2>if IO wait% quite high, this may be
because of the network. as far as I know, the network
will quite busy if</FONT></DIV>
<DIV><FONT face=Arial size=2>you use very few k points. you may need
infiniband for gamma point calculation for a large
system. </FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>If your memory is not enough, this will also
happen. More atoms in the system will demand much more memory.</FONT></DIV>
<DIV> <FONT face=Arial size=2>Virtual memory will be employed if the
physical memory is not enough. And the exchanging of data </FONT><FONT
face=Arial size=2>between </FONT></DIV>
<DIV><FONT face=Arial size=2>the virtual memory and physical memory need a lot
of time. So you may suffer from this.</FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>I know nothing about your hardware, and input file.
so I can't tell you the further about your problem.</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>hope helps</FONT></DIV>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>vega</FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=word><STRONG><FONT
size=3></FONT></STRONG></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial
size=2>=================================================================================<BR>Vega
Lew (weijia liu)<BR>PH.D Candidate in Chemical Engineering<BR>State Key
Laboratory of Materials-oriented Chemical Engineering<BR>College of Chemistry
and Chemical Engineering<BR>Nanjing University of Technology, 210009, Nanjing,
Jiangsu, China</FONT></DIV>
<DIV style="FONT: 10pt Tahoma">
<DIV><BR></DIV>
<DIV style="BACKGROUND: #f5f5f5">
<DIV style="font-color: black"><B>From:</B> <A title=wangqj1@126.com
href="mailto:wangqj1@126.com">wangqj1</A> </DIV>
<DIV><B>Sent:</B> Friday, September 12, 2008 9:33 AM</DIV>
<DIV><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum</A> </DIV>
<DIV><B>Subject:</B> [Pw_forum] the relax is to slow</DIV></DIV></DIV>
<DIV><BR></DIV>
<DIV> </DIV>
<DIV> Dear pwscf users
<DIV> When I use 'relax' to optimize the
suppercell of 48 atoms ,it runs too slow ,in 9 hours the iterative is
only 5,I think it will need 1 month to relax the suppercell like this,but I
remember several months ago ,I relax the suppercell of 32 atoms ,it only needs 8
atoms .I don't know what's the reason cause this ,how can I to promote this
.</DIV>
<DIV> Any advice will be appreciated !</DIV>
<DIV>sincerely</DIV>
<DIV>qjwang</DIV>
<DIV>XiangTan University</DIV>
<DIV> </DIV>
<DIV> </DIV></DIV>
<DIV> </DIV>
<DIV> </DIV>
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